6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide

C26H28Cl2N4O2 — CID 90386351

IUPAC6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(Cl)nc1NC1CCN(C(CCO)c2ccccc2)CC1
InChIInChI=1S/C26H28Cl2N4O2/c27-19-7-4-8-21(17-19)30-26(34)22-9-10-24(28)31-25(22)29-20-11-14-32(15-12-20)23(13-16-33)18-5-2-1-3-6-18/h1-10,17,20,23,33H,11-16H2,(H,29,31)(H,30,34)
InChIKeyMQHLVDJPSBPBAH-UHFFFAOYSA-N
MW499.44 g/mol
LogP5.64
Rot. Bonds8

About 6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide

6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide (PubChem CID 90386351) has the molecular formula C26H28Cl2N4O2 and a molecular weight of 499.44 g/mol. Its IUPAC name is 6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide
PubChem CID90386351
Molecular FormulaC26H28Cl2N4O2
Molecular Weight499.44 g/mol
Exact Mass498.16
IUPAC Name6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(Cl)nc1NC1CCN(C(CCO)c2ccccc2)CC1
InChIInChI=1S/C26H28Cl2N4O2/c27-19-7-4-8-21(17-19)30-26(34)22-9-10-24(28)31-25(22)29-20-11-14-32(15-12-20)23(13-16-33)18-5-2-1-3-6-18/h1-10,17,20,23,33H,11-16H2,(H,29,31)(H,30,34)
InChIKeyMQHLVDJPSBPBAH-UHFFFAOYSA-N
XLogP5.64
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.44
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide (CID 90386351) is 6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1ccc(Cl)nc1NC1CCN(C(CCO)c2ccccc2)CC1.
What is the InChIKey of 6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide?
The InChIKey is MQHLVDJPSBPBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N4O2/c27-19-7-4-8-21(17-19)30-26(34)22-9-10-24(28)31-25(22)29-20-11-14-32(15-12-20)23(13-16-33)18-5-2-1-3-6-18/h1-10,17,20,23,33H,11-16H2,(H,29,31)(H,30,34).
What are the key properties of 6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide?
6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 499.44 g/mol, XLogP of 5.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 90386351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).